N-tert-butyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide

C15H24N2O4S — CID 133241816

IUPACN-tert-butyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(C(CC(=O)NC(C)(C)C)NS(C)(=O)=O)cc1
InChIInChI=1S/C15H24N2O4S/c1-15(2,3)16-14(18)10-13(17-22(5,19)20)11-6-8-12(21-4)9-7-11/h6-9,13,17H,10H2,1-5H3,(H,16,18)
InChIKeyMXNZVLYGKOCXSG-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.59
Rot. Bonds6

About N-tert-butyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide

N-tert-butyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide (PubChem CID 133241816) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is N-tert-butyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
PubChem CID133241816
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC NameN-tert-butyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(C(CC(=O)NC(C)(C)C)NS(C)(=O)=O)cc1
InChIInChI=1S/C15H24N2O4S/c1-15(2,3)16-14(18)10-13(17-22(5,19)20)11-6-8-12(21-4)9-7-11/h6-9,13,17H,10H2,1-5H3,(H,16,18)
InChIKeyMXNZVLYGKOCXSG-UHFFFAOYSA-N
XLogP1.59
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 100784179
3-(methanesulfonamido)-3-(4-methoxyphenyl)propanoic acid
CID 112509655
N,N-diethyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 133255458
(3R)-N-[(2R)-butan-2-yl]-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784235
(3R)-3-(4-chlorophenyl)-3-(methanesulfonamido)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
CID 100783542
(3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-methyl-N-phenylpropanamide
CID 100784113
3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-propan-2-ylphenyl)propanamide
CID 133255422
(3R)-N-(4-fluorophenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784349
(3R)-N-(2,4-dimethoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784438
(3R)-N,N-dibenzyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784499
(3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide
CID 100784435
(3S)-N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784326

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-tert-butyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide (CID 133241816) is N-tert-butyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-tert-butyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-tert-butyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide is COc1ccc(C(CC(=O)NC(C)(C)C)NS(C)(=O)=O)cc1.
What is the InChIKey of N-tert-butyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide?
The InChIKey is MXNZVLYGKOCXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-15(2,3)16-14(18)10-13(17-22(5,19)20)11-6-8-12(21-4)9-7-11/h6-9,13,17H,10H2,1-5H3,(H,16,18).
What are the key properties of N-tert-butyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide?
N-tert-butyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide has a molecular weight of 328.43 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 133241816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).